原创力文档discovery of nanomolar ligands with novel scaffolds for the histamine h4 receptor by virtual screening：（发现摩尔配体的新型支架组胺h4受体通过虚拟筛选）.pdfVIP
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discovery of nanomolar ligands with novel scaffolds for the histamine h4 receptor by virtual screening：（发现摩尔配体的新型支架组胺h4受体通过虚拟筛选）
European Journal of Medicinal Chemistry 125 (2017) 565e572
Contents lists available at ScienceDirect
European Journal of Medicinal Chemistry
journal homepage: /locate/ejmech
Research paper
Discovery of nanomolar ligands with novel scaffolds for the histamine
H4 receptor by virtual screening
* 1
Nicolas Levoin , Olivier Labeeuw, Xavier Billot, Thierry Calmels, Denis Danvy ,
Stephane Krief, Isabelle Berrebi-Bertrand, Jeanne-Marie Lecomte, Jean-Charles Schwartz,
Marc Capet
Bioprojet-Biotech, 4rue du Chesnay Beauregard, 35762 Saint-Gregoire Cedex, France
a r t i c l e i n f o a b s t r a c t
Article history: The involvement of histamine H4 receptor (H4R) in immune cells chemotaxis and mediator release
Received 11 July 2016 makes it an attractive target for the treatment of inflammation disorders. A decade of medicinal
Received in revised form chemistry efforts has led to several promising ligands, although the chemical structures described so far
21 September 2016
possesses a singular limited diversity.
Accepted 22 September 2016
We report here the discovery of novel structures, belonging to completely different scaffolds. The
Available online 24 September 2016
virtual screening was planed as a two-steps process. First, using a “scout screening” methodology, we
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